Molecule card · MolClass #37047
14741254
14741254: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
1 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 14741254Mitochondrial Fusion · compound_name
- MolClass ID
- 37047
- InChIKey
- MOSMWOVZLDTWJS-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(c(O)c1)C2NC(=O)c3c(C)c(C)sc3(N2)
- Standard InChI
- InChI=1S/C15H16N2O2S/c1-7-4-5-10(11(18)6-7)13-16-14(19)12-8(2)9(3)20-15(12)17-13/h4-6,13,17-18H,1-3H3,(H,16,19)
- Stored Murcko scaffold
- s1ccc2[CH]NC(Nc12)c3ccccc3
Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.
Molecules with the same Murcko scaffold
Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 89.6 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 288.366 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.536
- CDK 2.12 · 2026-08-19
Saved model predictions
Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.
No saved predictions yet. Explore classification models to choose a prediction.
Source datasets
Dataset registrations and identifiers stored in MolClass.
Mitochondrial Fusion
Dataset #19 · 14741254